Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
TL;DR: Isoxazole, 4-(chloromethyl)-3,5-dimethyl- (CAS 19788-37-5) is a chemical compound with molecular formula C6H8ClNO and molecular weight 145.02943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole
Also Known As: 4-(Chloromethyl)-3,5-dimethylisoxazole, 4-Chloromethyl-3,5-dimethylisoxazole, null, 4-(chloromethyl)-3,5-dimethyl-1,2-oxazole, Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8ClNO |
| Molecular Weight | 145.02943 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.02943 Da |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
| SMILES | CC1=C(C(=NO1)C)CCl |
| InChIKey | NIFAUKBQIAURIM-UHFFFAOYSA-N |
Chemical Property Profile of Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
Property Insights of Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 4-(chloromethyl)-3,5-dimethyl-. With a topological polar surface area (TPSA) of 26.0 Ų, Isoxazole, 4-(chloromethyl)-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 4-(chloromethyl)-3,5-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoxazole, 4-(chloromethyl)-3,5-dimethyl-?
The CAS number of Isoxazole, 4-(chloromethyl)-3,5-dimethyl- is 19788-37-5.
What is the molecular formula of Isoxazole, 4-(chloromethyl)-3,5-dimethyl-?
The molecular formula of Isoxazole, 4-(chloromethyl)-3,5-dimethyl- is C6H8ClNO.
What is the molecular weight of Isoxazole, 4-(chloromethyl)-3,5-dimethyl-?
The molecular weight of Isoxazole, 4-(chloromethyl)-3,5-dimethyl- is 145.02943 g/mol.
Where can I buy Isoxazole, 4-(chloromethyl)-3,5-dimethyl-?
You can request a quote for Isoxazole, 4-(chloromethyl)-3,5-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoxazole, 4-(chloromethyl)-3,5-dimethyl-?
Yes, CoreyChem provides custom synthesis services for Isoxazole, 4-(chloromethyl)-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.